6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine

C13H13N3S2 — CID 79142765

IUPAC6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCCc3nccs3)sc2c1
InChIInChI=1S/C13H13N3S2/c1-9-2-3-10-11(8-9)18-13(16-10)15-5-4-12-14-6-7-17-12/h2-3,6-8H,4-5H2,1H3,(H,15,16)
InChIKeyQPAHONSAHIDQND-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.72
Rot. Bonds4

About 6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine

6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine (PubChem CID 79142765) has the molecular formula C13H13N3S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
PubChem CID79142765
Molecular FormulaC13H13N3S2
Molecular Weight275.40 g/mol
Exact Mass275.06
IUPAC Name6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCCc3nccs3)sc2c1
InChIInChI=1S/C13H13N3S2/c1-9-2-3-10-11(8-9)18-13(16-10)15-5-4-12-14-6-7-17-12/h2-3,6-8H,4-5H2,1H3,(H,15,16)
InChIKeyQPAHONSAHIDQND-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79528088
6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142595
6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419883
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
2,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82116058
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142262
N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82124615
N'-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79142175

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine (CID 79142765) is 6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine is Cc1ccc2nc(NCCc3nccs3)sc2c1.
What is the InChIKey of 6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is QPAHONSAHIDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S2/c1-9-2-3-10-11(8-9)18-13(16-10)15-5-4-12-14-6-7-17-12/h2-3,6-8H,4-5H2,1H3,(H,15,16).
What are the key properties of 6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine?
6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).